Element = Lattice = Model = Element: Ta
Lattice: hcp
Model: EAM_Dynamo_RaveloGermannGuerrero_2013Ta2_Ta__MO_330376344314_000
Computed model cutoff of 5.572552547156821 Angstroms
Computed isolated atomic energy of 0.0 eV for species Ta

==============================================================================
==============================================================================
 Starting optimization to find optimum lattice constant 'a' with c/a fixed to
 sqrt(8/3)
==============================================================================
==============================================================================


Attempting to perform relaxation using initial lattice constant guess of a = 1.0 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.0 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.125 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.125 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.25 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.25 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.375 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.375 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.695237
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.9451807531528202, total energy = -31.69523682528094

Attempting to perform relaxation using initial lattice constant guess of a = 1.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.695237
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.94518073378131, total energy = -31.69523682528089

Attempting to perform relaxation using initial lattice constant guess of a = 1.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.695237
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.9451807834208017, total energy = -31.69523682528092

Attempting to perform relaxation using initial lattice constant guess of a = 1.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.695237
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9451807886362076, total energy = -31.695236825280897

Attempting to perform relaxation using initial lattice constant guess of a = 2.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.695237
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.945180761814121, total energy = -31.69523682528089

Attempting to perform relaxation using initial lattice constant guess of a = 2.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.695237
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.9451807707548157, total energy = -31.695236825280936

Attempting to perform relaxation using initial lattice constant guess of a = 2.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.695237
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.94518075287342, total energy = -31.695236825280908

Attempting to perform relaxation using initial lattice constant guess of a = 2.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.695237
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.945180783700196, total energy = -31.695236825280915

Attempting to perform relaxation using initial lattice constant guess of a = 2.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.695237
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.945180751150474, total energy = -31.695236825280922

Attempting to perform relaxation using initial lattice constant guess of a = 2.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.695237
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.9451807886362085, total energy = -31.69523682528091

Attempting to perform relaxation using initial lattice constant guess of a = 2.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.695237
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 2.9451807204633953, total energy = -31.69523682528084

Attempting to perform relaxation using initial lattice constant guess of a = 2.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.695237
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.945180745248217, total energy = -31.69523682528092

Attempting to perform relaxation using initial lattice constant guess of a = 3.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.695237
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.9451807531528167, total energy = -31.695236825280904

Attempting to perform relaxation using initial lattice constant guess of a = 3.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.695237
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.9451807402074337, total energy = -31.695236825280887

Attempting to perform relaxation using initial lattice constant guess of a = 3.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.695237
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.9451807349920274, total energy = -31.69523682528089

Attempting to perform relaxation using initial lattice constant guess of a = 3.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.695237
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.9451807405101125, total energy = -31.695236825280894

Attempting to perform relaxation using initial lattice constant guess of a = 3.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.695237
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.945180783420801, total energy = -31.69523682528089

Attempting to perform relaxation using initial lattice constant guess of a = 3.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.695237
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9451807558623826, total energy = -31.6952368252809

Attempting to perform relaxation using initial lattice constant guess of a = 3.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.695237
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.945180788548896, total energy = -31.69523682528089

Attempting to perform relaxation using initial lattice constant guess of a = 3.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.695237
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.9451807186007475, total energy = -31.695236825280855

Attempting to perform relaxation using initial lattice constant guess of a = 4.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.695237
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.945180762186646, total energy = -31.695236825280908

Attempting to perform relaxation using initial lattice constant guess of a = 4.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.695237
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.945180782699028, total energy = -31.69523682528089

Attempting to perform relaxation using initial lattice constant guess of a = 4.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.695237
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.945180758088825, total energy = -31.695236825280922

Attempting to perform relaxation using initial lattice constant guess of a = 4.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.695237
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.9451807886362076, total energy = -31.695236825280876

Attempting to perform relaxation using initial lattice constant guess of a = 4.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.695237
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.945180779695507, total energy = -31.695236825280897

Attempting to perform relaxation using initial lattice constant guess of a = 4.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.695237
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.9451807136647394, total energy = -31.69523682528086

Attempting to perform relaxation using initial lattice constant guess of a = 4.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.695237
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.945180776622147, total energy = -31.695236825280883

Attempting to perform relaxation using initial lattice constant guess of a = 4.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.695237
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 2.945180734992025, total energy = -31.695236825280883

Attempting to perform relaxation using initial lattice constant guess of a = 5.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.695237
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.945180751150474, total energy = -31.69523682528093

Attempting to perform relaxation using initial lattice constant guess of a = 5.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.695237
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.9451807678211437, total energy = -31.69523682528091

Attempting to perform relaxation using initial lattice constant guess of a = 5.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.695237
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.945180788636206, total energy = -31.695236825280897

Attempting to perform relaxation using initial lattice constant guess of a = 5.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.695237
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.94518074032967, total energy = -31.695236825280908

Attempting to perform relaxation using initial lattice constant guess of a = 5.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.695237
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.9451807204633917, total energy = -31.69523682528085

Attempting to perform relaxation using initial lattice constant guess of a = 5.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.695237
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.9451806992292404, total energy = -31.695236825280816

==============================================================================
==============================================================================
 Starting optimization with both a and c/a relaxed
==============================================================================
==============================================================================


Attempting to perform relaxation using initial lattice constant guess of a = [2.94518075] Angstroms and c = 3.8475680242614767 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.699563
         Iterations: 73
         Function evaluations: 154
Results for this minimization:
  a = 2.930671937413165, c = 4.855425133503033, total energy = -31.69956254057934

Attempting to perform relaxation using initial lattice constant guess of a = [2.94518075] Angstroms and c = 4.088041025777819 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.699563
         Iterations: 68
         Function evaluations: 148
Results for this minimization:
  a = 2.930671970067076, c = 4.855425179362024, total energy = -31.699562540579308

Attempting to perform relaxation using initial lattice constant guess of a = [2.94518075] Angstroms and c = 4.32851402729416 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.699563
         Iterations: 70
         Function evaluations: 147
Results for this minimization:
  a = 2.9306719554684886, c = 4.85542500538498, total energy = -31.699562540579304

Attempting to perform relaxation using initial lattice constant guess of a = [2.94518075] Angstroms and c = 4.568987028810502 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.699563
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 2.930672015567175, c = 4.8554249819264745, total energy = -31.699562540579286

Attempting to perform relaxation using initial lattice constant guess of a = [2.94518075] Angstroms and c = 4.809460030326845 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.699563
         Iterations: 69
         Function evaluations: 144
Results for this minimization:
  a = 2.930671988019766, c = 4.855425104194465, total energy = -31.699562540579315

Attempting to perform relaxation using initial lattice constant guess of a = [2.94518075] Angstroms and c = 5.049933031843186 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.699563
         Iterations: 69
         Function evaluations: 148
Results for this minimization:
  a = 2.930671967446621, c = 4.8554249896201185, total energy = -31.699562540579297

Attempting to perform relaxation using initial lattice constant guess of a = [2.94518075] Angstroms and c = 5.2904060333595275 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.699563
         Iterations: 67
         Function evaluations: 145
Results for this minimization:
  a = 2.9306719299101327, c = 4.855425129785715, total energy = -31.699562540579326

Attempting to perform relaxation using initial lattice constant guess of a = [2.94518075] Angstroms and c = 5.53087903487587 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.699563
         Iterations: 70
         Function evaluations: 152
Results for this minimization:
  a = 2.9306719341765284, c = 4.855425188233221, total energy = -31.699562540579333

Attempting to perform relaxation using initial lattice constant guess of a = [2.94518075] Angstroms and c = 5.771352036392212 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.699563
         Iterations: 73
         Function evaluations: 151
Results for this minimization:
  a = 2.930671967822506, c = 4.855425060699851, total energy = -31.699562540579326

==============================================================================
==============================================================================
 Finished with optimization
==============================================================================
==============================================================================

 Final lattice Constants:
   a = 2.930671937413165 Angstroms, c = 4.855425133503033 Angstroms, c/a = 1.656762

 Total energy: -31.69956254057934 eV

 Cohesive energy: -7.924890635144835 eV/atom

==============================================================================
==============================================================================